bis[2-(2-ethoxyethoxy)ethyl] 2-butylpropanedioate

C19H36O8 — CID 101278843

IUPACbis[2-(2-ethoxyethoxy)ethyl] 2-butylpropanedioate
SMILESCCCCC(C(=O)OCCOCCOCC)C(=O)OCCOCCOCC
InChIInChI=1S/C19H36O8/c1-4-7-8-17(18(20)26-15-13-24-11-9-22-5-2)19(21)27-16-14-25-12-10-23-6-3/h17H,4-16H2,1-3H3
InChIKeyCNJSCUQCPBCUMD-UHFFFAOYSA-N
MW392.49 g/mol
LogP1.99
Rot. Bonds19

About bis[2-(2-ethoxyethoxy)ethyl] 2-butylpropanedioate

bis[2-(2-ethoxyethoxy)ethyl] 2-butylpropanedioate (PubChem CID 101278843) has the molecular formula C19H36O8 and a molecular weight of 392.49 g/mol. Its IUPAC name is bis[2-(2-ethoxyethoxy)ethyl] 2-butylpropanedioate.

Molecular Properties

Compound Namebis[2-(2-ethoxyethoxy)ethyl] 2-butylpropanedioate
PubChem CID101278843
Molecular FormulaC19H36O8
Molecular Weight392.49 g/mol
Exact Mass392.24
IUPAC Namebis[2-(2-ethoxyethoxy)ethyl] 2-butylpropanedioate
SMILESCCCCC(C(=O)OCCOCCOCC)C(=O)OCCOCCOCC
InChIInChI=1S/C19H36O8/c1-4-7-8-17(18(20)26-15-13-24-11-9-22-5-2)19(21)27-16-14-25-12-10-23-6-3/h17H,4-16H2,1-3H3
InChIKeyCNJSCUQCPBCUMD-UHFFFAOYSA-N
XLogP1.99
TPSA89.52 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds19
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.49
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

bis[2-(2-butoxyethoxy)ethyl] 2-butylpropanedioate
CID 101278845
bis[2-(2-methoxyethoxy)ethyl] 2-pentylpropanedioate
CID 101278893
diethyl 2-[2-[2-(2-ethoxyethoxy)ethoxy]ethyl]propanedioate
CID 25178903
bis(3-ethoxypropyl) 2-propylpropanedioate
CID 101278733
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-ethylhexanoyloxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2-ethylhexanoate
CID 139595108
2-[2-[(2R)-2-ethylhexanoyl]oxyethoxy]ethyl (2S)-2-ethylhexanoate
CID 92855750
diicosyl 2-icosylpropanedioate
CID 139968248
didocosyl 2-icosylpropanedioate
CID 139968255
dioctadecyl 2-heptadecylpropanedioate
CID 146623140
2-(2-ethoxyethoxy)ethyl (2S)-2-aminopropanoate
CID 167342621
diethyl 2-(2-propoxyethyl)propanedioate
CID 106454926
ethyl 2-carbamoylhexanoate
CID 13444608

Frequently Asked Questions

What is the IUPAC name of bis[2-(2-ethoxyethoxy)ethyl] 2-butylpropanedioate?
The IUPAC name of bis[2-(2-ethoxyethoxy)ethyl] 2-butylpropanedioate (CID 101278843) is bis[2-(2-ethoxyethoxy)ethyl] 2-butylpropanedioate.
What is the SMILES notation for bis[2-(2-ethoxyethoxy)ethyl] 2-butylpropanedioate?
The canonical SMILES for bis[2-(2-ethoxyethoxy)ethyl] 2-butylpropanedioate is CCCCC(C(=O)OCCOCCOCC)C(=O)OCCOCCOCC.
What is the InChIKey of bis[2-(2-ethoxyethoxy)ethyl] 2-butylpropanedioate?
The InChIKey is CNJSCUQCPBCUMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H36O8/c1-4-7-8-17(18(20)26-15-13-24-11-9-22-5-2)19(21)27-16-14-25-12-10-23-6-3/h17H,4-16H2,1-3H3.
What are the key properties of bis[2-(2-ethoxyethoxy)ethyl] 2-butylpropanedioate?
bis[2-(2-ethoxyethoxy)ethyl] 2-butylpropanedioate has a molecular weight of 392.49 g/mol, XLogP of 1.99, 19 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for bis[2-(2-ethoxyethoxy)ethyl] 2-butylpropanedioate is sourced from PubChem (CID 101278843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).